Zhang Lab

University of Michigan

Home Research COVID-19 Services Publications People Teaching Job Opening News Forum Lab Only

Online Services

●I-TASSER ●I-TASSER-MTD ●C-I-TASSER ●CR-I-TASSER ●QUARK ●C-QUARK ●LOMETS ●MUSTER ●CEthreader ●SEGMER ●DeepFold ●DeepFoldRNA ●FoldDesign ●COFACTOR ●COACH ●MetaGO ●TripletGO ●IonCom ●FG-MD ●ModRefiner ●REMO ●DEMO ●DEMO-EM ●DMFold ●SPRING ●COTH ●Threpp ●PEPPI ●BSpred ●ANGLOR ●EDock ●BSP-SLIM ●SAXSTER ●FUpred ●ThreaDom ●ThreaDomEx ●EvoDesign ●BindProf ●BindProfX ●SSIPe ●GPCR-I-TASSER ●MAGELLAN ●ResQ ●STRUM ●DAMpred

●TM-score ●TM-align ●US-align ●MM-align ●RNA-align ●NW-align ●LS-align ●EDTSurf ●MVP ●MVP-Fit ●SPICKER ●HAAD ●PSSpred ●3DRobot ●MR-REX ●I-TASSER-MR ●SVMSEQ ●NeBcon ●ResPRE ●TripletRes ●DeepPotential ●WDL-RF ●ATPbind ●DockRMSD ●DeepMSA ●FASPR ●EM-Refiner ●GPU-I-TASSER

●BioLiP ●E. coli ●GLASS ●GPCR-HGmod ●GPCR-RD ●GPCR-EXP ●Tara-3D ●TM-fold ●DECOYS ●POTENTIAL ●RW/RWplus ●EvoEF ●HPSF ●THE-DB ●ADDRESS ●Alpaca-Antibody ●CASP7 ●CASP8 ●CASP9 ●CASP10 ●CASP11 ●CASP12 ●CASP13 ●CASP14

GLASS

You can:

Go to the GPCR, ligand, or experimental data tables.
Go to the experimental data table for text mining information in PubMed ID column.
Go to the GPCR page and check other ligands which interact with it.
Go to the ligand page and check other GPCRs which it interacts with.
Go back to previous page.

GPCR

Name	D(2) dopamine receptor
Species	Homo sapiens (Human)
Gene	DRD2
Synonym	dopamine receptor 2 Dopamine D2 receptor D2R D2A and D_2B D2(415) and D₂₍₄₄₄₎ D2 receptor [ Show all ]
Disease	Substance dependence Major depressive disorder Maintain blood pressure in hypotensive states Insomnia Inflammatory disease Inflammatory bowel disease Idiopathic thrombocytopenic purpura Hypertension; Angina pectoris Hypertension Hyperprolactinemia Huntington's disease Glaucoma Gastrointestinal problems Malignant phaeochromocytoma; Benign prostatic hypertrophy; Malignant essential hypertension Migraine headaches Nasal congestion Sexual dysfunction Schizophrenia; Schizoaffective disorders Schizophrenia; Bipolar disorder Schizophrenia Psychotic disorders Psychosis Postpartum haemorrhage Peripheral vasoconstriction; Pulmonary hypertension Parkinson's disease Pain; Inflammatory diseases Ophthalmic disease Non-small cell lung cancer Nausea; Vomiting Fibrosis False perceptions; Bipolar disorder Emesis Chronic obstructive pulmonary disease Cerebrovascular ischaemia Cardiotonic Cardiac failure Bacterial infections Breast cancer Bipolar disorder; Schizophrenia Bipolar disorder Corneal vascularity; Hyperaemia; Itching Asthma; Bronchitis Anxiety disorder Carcinoid syndrome; Acromegaly Advanced stage Parkinson's disease Dermal necrosis Depressive fatigue Alcohol use disorders Allergy Alzheimer disease Hypotension [ Show all ]
Length	443
Amino acid sequence	MDPLNLSWYDDDLERQNWSRPFNGSDGKADRPHYNYYATLLTLLIAVIVFGNVLVCMAVSREKALQTTTNYLIVSLAVADLLVATLVMPWVVYLEVVGEWKFSRIHCDIFVTLDVMMCTASILNLCAISIDRYTAVAMPMLYNTRYSSKRRVTVMISIVWVLSFTISCPLLFGLNNADQNECIIANPAFVVYSSIVSFYVPFIVTLLVYIKIYIVLRRRRKRVNTKRSSRAFRAHLRAPLKGNCTHPEDMKLCTVIMKSNGSFPVNRRRVEAARRAQELEMEMLSSTSPPERTRYSPIPPSHHQLTLPDPSHHGLHSTPDSPAKPEKNGHAKDHPKIAKIFEIQTMPNGKTRTSLKTMSRRKLSQQKEKKATQMLAIVLGVFIICWLPFFITHILNIHCDCNIPPVLYSAFTWLGYVNSAVNPIIYTTFNIEFRKAFLKILHC
UniProt	P14416
Protein Data Bank	6cm4, 6c38
GPCR-HGmod model	P14416
3D structure model	This structure is from PDB ID 6cm4.
BioLiP	BL0408379, BL0403379
Therapeutic Target Database	T67162
ChEMBL	CHEMBL217
IUPHAR	215
DrugBank	BE0000756

Ligand

Name	isoproterenol
Molecular formula	C11H17NO3
IUPAC name	4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol
Molecular weight	211.261
Hydrogen bond acceptor	4
Hydrogen bond donor	4
XlogP	-0.6
Synonyms	Lopac0_000711 N-Isopropylnoradrenaline NCGC00015558-10 neo-Epinine NSC-9975 Prestwick2_001097 Saventrine Spectrum3_000474 Isuprel (TN) to_000062 KBio2_006565 Benzyl alcohol, 3,4-dihydroxy-.alpha.-((isopropylamino)methyl)- C07056 (.+/-.)-Isoprenaline d-Isoprenaline .alpha.-(Isopropylaminomoethyl)protocatechuyl alcohol 1,2-Benzenediol, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]- dl-Isopropylnoradrenaline 3,4-dihydroxy-alpha-[(isopropylamino)methyl]-benzyl alcohol EN300-148243 4-[1-hydroxy-2-(isopropylamino)ethyl]pyrocatechol;hydrochloride IDI1_000894 6700-39-6 Isoprenaline AC1Q1QBS Isopropyl noradrenaline API0006523 Isoproterenol (-) LS-42869 NCGC00015558-05 NCGC00015558-14 Norisodrine Oprea1_009434 Protocatechuyl alcohol,- SCHEMBL4165 Isoproterenolum Spectrum_000949 Izadrin (Salt/Mix) WLN: QR BQ DYQ1MY1&1 KBioSS_001429 Isoproterenol,(+) BENZYL ALCOHOL, 3,4-DIHYDROXY-alpha-((ISOPROPYLAMINO)METHYL)-, (+-)- (+)-Isoproterenol CCG-204796 (S)-(+)-Isoproterenol d-N-Isopropylnorepinephrine 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)- (9CI) DivK1c_000894 149-53-1 DSSTox_CID_3175 4-(1-Hydroxy-2(isopropylamino)ethyl)-benzene 1,2-diol FT-0724367 4-{1-hydroxy-2-[(methylethyl)amino]ethyl}benzene-1,2-diol Isonorene AB00053487-09 Isoprenalinesulphate Aleudrine Isopropylaminomethyl-3,4-dihydroxyphenyl carbinol Asmalar L000936 N-Isopropyl-.beta.-dihydroxyphenyl-.beta.-hydroxyethylamine NCGC00015558-08 NCGC00025274-04 NSC 9975 Prestwick0_001097 Racemic isoproterenol SPBio_003057 Isuprel Tox21_110172 KBio2_001429 Bronkephrine (+/-)-isoprenaline D0IF0C 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, (S)- dl-Ipr 3,4-Dihydroxy-.alpha.-[(isopropylamino)methyl]benzyl alcohol DTXSID4023175 4-[1-Hydroxy-2-(isopropylamino)ethyl]-1,2-benzenediol # I14-45263 46388-38-9 Isoprenalina AB00053487_12 ISOPROP Aludrin Isopropylnorepinephrine BDBM25392 LS-42866 N-Isopropylnorepinephrine NCGC00015558-11 Neodrenal NSC33791 Proternol SBB005855 Spectrum4_000024 Isuprel Mistometer Vapo-N-iso KBio3_001428 Benzyl alcohol, 3,4-dihydroxy-alpha-((isopropylamino)methyl)- CAS-7683-59-2 (.+/-.)-Isoproterenol d-Isopropylarterenol 1, 4-[1-hydroxy-2-[(1-methylethyl)amino]ethyl]- DB01064 1-(3,4-Dihydroxyphenyl)-2-(isopropylamino)ethanol DL-Isopropylnorepinephrine 3,4-dihydroxy-alpha-[(isopropylamino)methyl]benzyl alcohol Epinephrine isopropyl homolog 4-[1-hydroxy-2-(propan-2-ylamino)ethyl]benzene-1,2-diol Isadrin 683I592 Isoprenaline (INN) AKOS015913894 Isopropyladrenaline AS1409 Isoproterenol Chloride MCULE-6061231962 NCGC00015558-06 NCGC00016665-02 Novodrin PDSP1_001425 Protocatechuyl alcohol,.alpha.-(isopropylamino-methyl),- SGCUT00015 ISOPROTERONOL ST077771 JWZZKOKVBUJMES-UHFFFAOYSA-N l-Isopropylnoradrenaline Isoproterenol-l Benzyl alcohol,4-dihydroxy-.alpha.-[(isopropylamino)methyl]- (+-)-Isoprenaline CCRIS 3081 (S)-Isoprenaline D08090 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-(9CI) DL(+-)-Isoproterenol DSSTox_GSID_23175 4-(1-Hydroxy-2-((1-methylethyl)amino)ethyl)-1,2-benzenediol GTPL536 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol Isonorin AB00053487-10 Isoprenalinum alpha-(Isopropylaminomethyl)protocatechuyl alcohol Isopropylarterenol Assiprenol Lomupren N-Isopropyl-beta-dihydroxyphenyl-beta-hydroxyethylamine NCGC00015558-09 NCGC00162220-01 NSC-33791 Prestwick1_001097 Respifral Spectrum2_001061 Isuprel (Salt/Mix) Tox21_110172_1 KBio2_003997 Bellasthman BSPBio_002208 (+/-)-isoproterenol CHEMBL434 .alpha.-(Isopropylaminomethyl)protocatechuyl alcohol D0P1IS 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, (S)-(9CI) dl-Isadrine 3,4-Dihydroxy-alpha-((isopropylamino)methyl)benzyl alcohol EINECS 231-687-7 4-[1-hydroxy-2-(isopropylamino)ethyl]benzene-1,2-diol ICI 46399 Isoprenalina [INN-Spanish] AC1L1GOZ Isopropydrin Aludrine LS-42868 NCGC00015558-04 NCGC00015558-12 NINDS_000894 NSC9975 Protocatechuyl alcohol, alpha-(isopropylaminomethyl)- SBI-0050689.P004 Isoproterenol; Spectrum5_000880 Isupren WIN 5162 KBioGR_000427 BENZYL ALCOHOL, 3,4-DIHYDROXY-alpha-((ISOPROPYLAMINO)METHYL)-, (+)- (+)-Isoprenaline CCG-204727 (A+/-)-Isoproterenol hydrochloride d-Isoproterenol 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)- Dihydroxyphenylethanolisopropylamine 1-(3,4-Dihydroxyphenyl)-2-isopropylaminoethanol dl-N-Isopropylnoradrenaline 3-13-00-02387 (Beilstein Handbook Reference) Euspiran (Salt/Mix) 4-{1-hydroxy-2-[(1-methylethyl)amino]ethyl}benzene-1,2-diol Isadrine 7683-59-2 Isoprenaline [INN] Aleudrin Isopropylaminomethyl(3,4-dihydroxyphenyl)carbinol Asiprenol Isoproterenol [JAN] Medihaler-ISO NCGC00015558-07 NCGC00025274-03 NSC 33791 PDSP2_001409 Racemic isoprenaline SPBio_001042 Isorenin STL558077 KBio1_000894 l-Isoproterenol BRN 2213857 (+-)-Isoproterenol CHEBI:64317 (S)-Isoproterenol D0I8FI 1,2-Benzenediol, 4-(1-hydroxy-2-((1-methylethyl)amino)ethyl)-, (+-)- DL(.+/-.)-Isoproterenol 3,4-Dihydroxy-.alpha.-(isopropylaminomethyl)-benzyl alcohol DSSTox_RID_76904 4-(1-Hydroxy-2-(isopropylamino)ethyl)benzene-1,2-diol HMS2089A12 4-{1-hydroxy-2-[(propan-2-yl)amino]ethyl}benzene-1,2-diol, 2 Isoprenalin AB00053487_11 Isoprenalinum [INN-Latin] alpha-(Isopropylaminomoethyl)protocatechuyl alcohol Isopropylnoradrenaline BCP09043 [ Show all ]
Inchi Key	JWZZKOKVBUJMES-UHFFFAOYSA-N
Inchi ID	InChI=1S/C11H17NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,11-15H,6H2,1-2H3
PubChem CID	3779
ChEMBL	CHEMBL434
IUPHAR	536
BindingDB	25392
DrugBank	DB01064
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	12000.0 nM	PMID27132867	BindingDB,ChEMBL
Ki	48000.0 nM	PMID27132867	BindingDB,ChEMBL

zhanglabzhanggroup.org | (734) 647-1549 | 100 Washtenaw Avenue, Ann Arbor, MI 48109-2218